⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13688355 | 0.81 | CYP3A4 (0.37) | — | |
| SCHEMBL14019694 | 0.80 | CYP3A4 (0.35) | — | |
| SCHEMBL3998071 | 0.77 | CYP1A2 (0.34) | — | |
| SCHEMBL13688358 | 0.77 | CYP3A4 (0.35) | — | |
| SCHEMBL13688398 | 0.76 | — | — | |
| SCHEMBL13688397 | 0.76 | KMT2A (0.38) | — | |
| SCHEMBL13688401 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL4004361 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL13688368 | 0.75 | NAAA (0.42) | — | |
| SCHEMBL14019717 | 0.75 | THRB (0.46) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7585901-B2 | Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials | IVOCLAR VIVADENT AG (LI) | 2009-09-08 | — | — | US | disclosed |
| US-7585901-B2 | Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials | IVOCLAR VIVADENT AG (LI) | 2009-09-08 | — | — | US | disclosed |
| US-20080261118-A1 | OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM | FUJIFILM CORPORATION (JP) | 2008-10-23 | — | — | US | disclosed |
| US-20080261118-A1 | OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM | FUJIFILM CORPORATION (JP) | 2008-10-23 | — | — | US | disclosed |
| US-7365222-B2 | 1,1-Disubstituted 2-vinylcyclopropanes; free radical polymerizable monomers | IVOCLAR VIVADENT AG (LI) | 2008-04-29 | — | — | US | disclosed |
| US-7365222-B2 | 1,1-Disubstituted 2-vinylcyclopropanes; free radical polymerizable monomers | IVOCLAR VIVADENT AG (LI) | 2008-04-29 | — | — | US | disclosed |
| US-20070232719-A1 | POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS | IVOCLAR VIVADENT AG (LI) | 2007-10-04 | — | — | US | disclosed |
| US-20070232719-A1 | POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS | IVOCLAR VIVADENT AG (LI) | 2007-10-04 | — | — | US | disclosed |